Information card for entry 7212043

Structure parameters

• Formula: C16 H20 N7 O2 P
• Calculated formula: C16 H20 N7 O2 P
• SMILES: P1(Oc2ccncc2)(Oc2ccncc2)=NC(=NC(=N1)N(C)C)N(C)C
• Title of publication: Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand
• Authors of publication: Chandrasekhar, Vadapalli; Senapati, Tapas
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 682
• a: 7.3777 ± 0.0016 Å
• b: 10.187 ± 0.002 Å
• c: 12.57 ± 0.003 Å
• α: 86.803 ± 0.004°
• β: 81.176 ± 0.004°
• γ: 74.745 ± 0.004°
• Cell volume: 900.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No